hydron;4-(triethylazaniumyl)butane-1-sulfonate

C10H24NO3S+ — CID 101285445

IUPAChydron;4-(triethylazaniumyl)butane-1-sulfonate
SMILESCC[N+](CC)(CC)CCCCS(=O)(=O)[O-].[H+]
InChIInChI=1S/C10H23NO3S/c1-4-11(5-2,6-3)9-7-8-10-15(12,13)14/h4-10H2,1-3H3/p+1
InChIKeyBZBRTXMUKWYFID-UHFFFAOYSA-O
MW238.37 g/mol
LogP1.30
Rot. Bonds8

About hydron;4-(triethylazaniumyl)butane-1-sulfonate

hydron;4-(triethylazaniumyl)butane-1-sulfonate (PubChem CID 101285445) has the molecular formula C10H24NO3S+ and a molecular weight of 238.37 g/mol. Its IUPAC name is hydron;4-(triethylazaniumyl)butane-1-sulfonate.

Molecular Properties

Compound Namehydron;4-(triethylazaniumyl)butane-1-sulfonate
PubChem CID101285445
Molecular FormulaC10H24NO3S+
Molecular Weight238.37 g/mol
Exact Mass238.15
IUPAC Namehydron;4-(triethylazaniumyl)butane-1-sulfonate
SMILESCC[N+](CC)(CC)CCCCS(=O)(=O)[O-].[H+]
InChIInChI=1S/C10H23NO3S/c1-4-11(5-2,6-3)9-7-8-10-15(12,13)14/h4-10H2,1-3H3/p+1
InChIKeyBZBRTXMUKWYFID-UHFFFAOYSA-O
XLogP1.30
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;4-(triethylazaniumyl)butane-1-sulfonate?
The IUPAC name of hydron;4-(triethylazaniumyl)butane-1-sulfonate (CID 101285445) is hydron;4-(triethylazaniumyl)butane-1-sulfonate.
What is the SMILES notation for hydron;4-(triethylazaniumyl)butane-1-sulfonate?
The canonical SMILES for hydron;4-(triethylazaniumyl)butane-1-sulfonate is CC[N+](CC)(CC)CCCCS(=O)(=O)[O-].[H+].
What is the InChIKey of hydron;4-(triethylazaniumyl)butane-1-sulfonate?
The InChIKey is BZBRTXMUKWYFID-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H23NO3S/c1-4-11(5-2,6-3)9-7-8-10-15(12,13)14/h4-10H2,1-3H3/p+1.
What are the key properties of hydron;4-(triethylazaniumyl)butane-1-sulfonate?
hydron;4-(triethylazaniumyl)butane-1-sulfonate has a molecular weight of 238.37 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;4-(triethylazaniumyl)butane-1-sulfonate is sourced from PubChem (CID 101285445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).